 H Br
   1.0
     6.2668173300000003    0.0000000000000000    0.0000000000000000
     0.0000000000000000    5.1474890999999996    0.0000000000000000
     0.0000000000000000    0.0000000000000000    5.1381610499999999
 H Br
   4   4
Direct
   0.5000000000000000  0.5373648200000001  0.6941166900000000
   0.5000000000000000  0.4626351800000000  0.1941166900000000
   0.0000000000000000  0.0373648200000000  0.6941166900000000
   0.0000000000000000  0.9626351800000000  0.1941166900000000
   0.5000000000000000  0.7432689800000001  0.4848833100000000
   0.5000000000000000  0.2567310200000000  0.9848833100000000
   0.0000000000000000  0.2432689800000000  0.4848833100000000
   0.0000000000000000  0.7567310200000000  0.9848833100000000